N-benzyl-2-[1-(cyclopropylmethyl)-2-oxo-4-(trifluoromethyl)quinolin-7-yl]oxyacetamide

C23H21F3N2O3 — CID 42877975

IUPACN-benzyl-2-[1-(cyclopropylmethyl)-2-oxo-4-(trifluoromethyl)quinolin-7-yl]oxyacetamide
SMILESO=C(COc1ccc2c(C(F)(F)F)cc(=O)n(CC3CC3)c2c1)NCc1ccccc1
InChIInChI=1S/C23H21F3N2O3/c24-23(25,26)19-11-22(30)28(13-16-6-7-16)20-10-17(8-9-18(19)20)31-14-21(29)27-12-15-4-2-1-3-5-15/h1-5,8-11,16H,6-7,12-14H2,(H,27,29)
InChIKeyGXPPGZMDVWTQBG-UHFFFAOYSA-N
MW430.43 g/mol
LogP4.13
Rot. Bonds7

About N-benzyl-2-[1-(cyclopropylmethyl)-2-oxo-4-(trifluoromethyl)quinolin-7-yl]oxyacetamide

N-benzyl-2-[1-(cyclopropylmethyl)-2-oxo-4-(trifluoromethyl)quinolin-7-yl]oxyacetamide (PubChem CID 42877975) has the molecular formula C23H21F3N2O3 and a molecular weight of 430.43 g/mol. Its IUPAC name is N-benzyl-2-[1-(cyclopropylmethyl)-2-oxo-4-(trifluoromethyl)quinolin-7-yl]oxyacetamide.

Molecular Properties

Compound NameN-benzyl-2-[1-(cyclopropylmethyl)-2-oxo-4-(trifluoromethyl)quinolin-7-yl]oxyacetamide
PubChem CID42877975
Molecular FormulaC23H21F3N2O3
Molecular Weight430.43 g/mol
Exact Mass430.15
IUPAC NameN-benzyl-2-[1-(cyclopropylmethyl)-2-oxo-4-(trifluoromethyl)quinolin-7-yl]oxyacetamide
SMILESO=C(COc1ccc2c(C(F)(F)F)cc(=O)n(CC3CC3)c2c1)NCc1ccccc1
InChIInChI=1S/C23H21F3N2O3/c24-23(25,26)19-11-22(30)28(13-16-6-7-16)20-10-17(8-9-18(19)20)31-14-21(29)27-12-15-4-2-1-3-5-15/h1-5,8-11,16H,6-7,12-14H2,(H,27,29)
InChIKeyGXPPGZMDVWTQBG-UHFFFAOYSA-N
XLogP4.13
TPSA60.33 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.43
LogP ≤ 54.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-benzyl-2-[2-oxo-4-(trifluoromethyl)chromen-7-yl]oxyacetamide
CID 18165439
N-benzyl-2-[4-fluoro-3-(trifluoromethyl)phenoxy]acetamide
CID 15712996
2-[1-ethyl-2-oxo-4-(trifluoromethyl)quinolin-7-yl]oxy-N-propan-2-ylacetamide
CID 42877957
N-(cyclopropylmethyl)-2-[1-[(3-fluorophenyl)methyl]-4-methyl-2-oxoquinolin-7-yl]oxyacetamide
CID 42877905
2-[1-(cyclopropylmethyl)-2-oxo-4-propan-2-ylquinolin-7-yl]oxy-N-[2-(3,4-dimethoxyphenyl)ethyl]acetamide
CID 42878034
N-(4-chlorophenyl)-2-[1-(cyclopropylmethyl)-4-methyl-2-oxoquinolin-7-yl]oxyacetamide
CID 42877921
7-[2-(4-benzylpiperazin-1-yl)-2-oxoethoxy]-1-(cyclopropylmethyl)-4-propan-2-ylquinolin-2-one
CID 42690353
2-[1-(cyclobutylmethyl)-4-methyl-2-oxoquinolin-7-yl]oxy-N-(2-piperidin-1-ylethyl)acetamide
CID 42877942
N-benzyl-2-(3-ethoxyphenoxy)acetamide
CID 112977703
2-(cyclopropylmethylamino)-N-[[3-(2,2,2-trifluoroethoxy)phenyl]methyl]acetamide
CID 119712587
N-benzyl-2-(6-oxobenzo[c]chromen-3-yl)oxyacetamide
CID 171617266
N-(4-chlorophenyl)-2-[1-(cyclobutylmethyl)-2-oxo-4-propan-2-ylquinolin-7-yl]oxyacetamide
CID 42690370

Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-[1-(cyclopropylmethyl)-2-oxo-4-(trifluoromethyl)quinolin-7-yl]oxyacetamide?
The IUPAC name of N-benzyl-2-[1-(cyclopropylmethyl)-2-oxo-4-(trifluoromethyl)quinolin-7-yl]oxyacetamide (CID 42877975) is N-benzyl-2-[1-(cyclopropylmethyl)-2-oxo-4-(trifluoromethyl)quinolin-7-yl]oxyacetamide.
What is the SMILES notation for N-benzyl-2-[1-(cyclopropylmethyl)-2-oxo-4-(trifluoromethyl)quinolin-7-yl]oxyacetamide?
The canonical SMILES for N-benzyl-2-[1-(cyclopropylmethyl)-2-oxo-4-(trifluoromethyl)quinolin-7-yl]oxyacetamide is O=C(COc1ccc2c(C(F)(F)F)cc(=O)n(CC3CC3)c2c1)NCc1ccccc1.
What is the InChIKey of N-benzyl-2-[1-(cyclopropylmethyl)-2-oxo-4-(trifluoromethyl)quinolin-7-yl]oxyacetamide?
The InChIKey is GXPPGZMDVWTQBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21F3N2O3/c24-23(25,26)19-11-22(30)28(13-16-6-7-16)20-10-17(8-9-18(19)20)31-14-21(29)27-12-15-4-2-1-3-5-15/h1-5,8-11,16H,6-7,12-14H2,(H,27,29).
What are the key properties of N-benzyl-2-[1-(cyclopropylmethyl)-2-oxo-4-(trifluoromethyl)quinolin-7-yl]oxyacetamide?
N-benzyl-2-[1-(cyclopropylmethyl)-2-oxo-4-(trifluoromethyl)quinolin-7-yl]oxyacetamide has a molecular weight of 430.43 g/mol, XLogP of 4.13, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2-[1-(cyclopropylmethyl)-2-oxo-4-(trifluoromethyl)quinolin-7-yl]oxyacetamide is sourced from PubChem (CID 42877975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).